NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1R S 4.4656 8.4345 117.1066 57.4708 63.3929 173.9872 1Q E 4.1023 8.7432 123.5099 54.1916 30.1034 171.1168 1P Y 4.6556 8.5372 124.0050 55.3112 42.8535 172.9349 1O Q 4.5057 7.4953 127.8328 53.9006 30.7151 175.3158 1N T 4.5511 8.5264 115.6164 61.9793 69.5722 173.4398 1M F 4.3178 9.4390 124.6865 58.9426 41.3455 175.9377 1L F 4.4409 8.0690 117.6681 55.9260 40.0874 174.8641 1K N 4.6141 8.6499 121.2435 52.4554 38.9505 174.0400 1J P 4.6084 0.0000 0.0000 65.6452 31.9002 178.8312 1I R 3.9110 8.6346 118.4095 59.3414 30.1631 177.4283 1H T 4.3078 7.9162 105.6282 63.6210 69.8549 175.7001 1G F 4.1620 8.9509 124.1820 59.4382 39.5201 174.7729 1F G 3.7523 8.0674 105.1298 44.2919 0.0000 172.5126 1E S 4.5800 7.9222 112.8525 57.7006 64.0856 173.3925 1D G 4.0281 8.9915 109.6462 46.3025 0.0000 176.0829 1C E 4.0560 8.8697 120.6679 59.1799 29.9422 178.4632 1B A 4.1121 8.2559 120.2988 54.7319 18.4672 177.3292 1A D 4.8150 7.4824 112.4827 53.8863 41.6338 176.1000 1 C 4.1475 7.5598 112.8277 58.7433 29.9910 174.6288 2 G 3.7489 8.7036 108.2552 45.8326 0.0000 173.3303 3 L 4.5863 7.2209 119.2073 52.6336 42.8297 176.4328 4 R 4.2722 8.8131 124.3521 54.9797 30.8447 176.1996 5 P 4.2269 0.0000 0.0000 65.6594 31.4023 177.1901 6 L 4.2123 7.7820 114.2449 54.6522 41.5598 176.6542 7 F 4.8963 7.4763 115.1675 57.1635 42.1619 176.7467 8 E 4.0268 8.7489 120.6967 59.9053 30.1636 179.8512 9 K 3.8998 8.2139 116.2829 58.8221 32.1498 177.7188 10 K 4.3740 7.8612 114.8905 55.2131 32.4644 175.6312 11 S 3.7619 7.9538 112.3094 59.4960 61.2793 171.7840 12 L 4.8457 8.4869 117.7781 52.6739 43.9923 175.8825 13 E 4.8693 8.6135 121.9820 54.5883 31.1826 175.6905 14 D 4.6955 9.0434 122.3691 52.1883 40.5306 177.5475 14A K 4.1422 8.5278 118.5173 59.0508 32.2907 178.0741 14B T 4.6013 8.5237 106.6752 60.1972 69.9455 175.4547 14C E 3.9403 7.9296 123.0351 59.5335 29.3298 178.9052 14D R 3.8637 7.9666 119.5364 59.3243 29.9610 177.8263 14E E 3.8687 8.0862 118.9814 58.9800 29.3269 178.9397 14F L 3.7361 7.4784 117.8121 57.7342 42.1761 178.8424 14G L 3.9884 7.6406 118.8144 57.8896 41.4784 179.5467 14H E 4.0271 8.3777 118.8607 59.1662 29.1616 179.3115 14I S 4.1138 7.3750 112.9973 60.9818 62.9827 175.5732 14J Y 4.5780 7.4485 119.3728 59.8009 37.7737 176.0059 14K I 4.4026 7.6541 118.6067 61.3195 39.6205 174.9179 14L D 4.3780 8.7861 124.2073 54.2898 41.3549 174.6824 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1R S 8.43 4.47 0.00 3.65 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1Q E 8.74 4.10 0.00 2.06 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.93 0.00 1P Y 8.54 4.66 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1O Q 7.50 4.51 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 1N T 8.53 4.55 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 1M F 9.44 4.32 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1L F 8.07 4.44 0.00 2.56 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1K N 8.65 4.61 0.00 2.76 2.81 0.00 0.00 6.89 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1J P 0.00 4.61 0.00 2.29 2.21 0.00 3.72 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 1I R 8.63 3.91 0.00 1.90 2.06 0.00 3.27 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 1H T 7.92 4.31 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1G F 8.95 4.16 0.00 3.02 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F G 8.07 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E S 7.92 4.58 0.00 4.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D G 8.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C E 8.87 4.06 0.00 2.54 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 1B A 8.26 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1A D 7.48 4.81 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 C 7.56 4.15 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 G 8.70 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.22 4.59 0.00 1.75 1.63 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.81 4.27 0.00 2.22 2.05 0.00 3.22 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 5 P 0.00 4.23 0.00 2.03 2.12 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 6 L 7.78 4.21 0.00 1.30 1.14 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.48 4.90 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.75 4.03 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 9 K 8.21 3.90 0.00 1.94 1.89 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.43 7.81 10 K 7.86 4.37 0.00 1.66 1.76 0.00 1.87 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.46 7.81 11 S 7.95 3.76 0.00 3.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.49 4.85 0.00 1.69 1.56 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.61 4.87 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 14 D 9.04 4.70 0.00 2.47 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A K 8.53 4.14 0.00 1.75 1.92 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.47 7.81 14B T 8.52 4.60 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 14C E 7.93 3.94 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 14D R 7.97 3.86 0.00 1.88 1.95 0.00 3.17 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 14E E 8.09 3.87 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 14F L 7.48 3.74 0.00 1.62 1.47 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.64 3.99 0.00 1.82 1.77 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.38 4.03 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 14I S 7.38 4.11 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14J Y 7.45 4.58 0.00 3.17 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14K I 7.65 4.40 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.94 0.00 0.00 14L D 8.79 4.38 0.00 2.51 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00